SCHEMBL27419040

SCHEMBL27419040

CC=C(C)C(=O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
FFAR3 O14843 2/20 0.33
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
RECQL P46063 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
CTH P32929 1/20 0.32
NFKB1 P19838 1/20 0.32
TRPA1 O75762 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
ALOX15 P16050 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9231276 0.77 LDHA (0.36) LDHASRRMAPTTSHRKDM4E
SCHEMBL28081634 0.76 MAPT (0.35) MAPTNFKB1TRPA1HSD17B10ALDH1A1
SCHEMBL4929902 0.75 LDHA (0.35) LDHASRRTSHRCYP2D6
SCHEMBL9768535 0.75 ALOX15 (0.35) LDHASRRALOX15HSD17B10ALDH1A1
SCHEMBL9768533 0.75 ALOX15 (0.35) LDHASRRALOX15HSD17B10ALDH1A1
SCHEMBL4929909 0.75 LDHA (0.35) LDHASRRTSHRCYP2D6
SCHEMBL5598572 0.73
Malonic Acid SCHEMBL28931101 0.73 LDHA (0.60) LDHASRRTSHRKDM4EFFAR3
Oxaloacetate SCHEMBL2850056 0.72 LDHA (0.42) LDHASRRTSHRKDM4EFFAR3
SCHEMBL13195245 0.72 MAPT (0.33) MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1116267-C Process for producing branched aldehydes KURARAY CO (JP) 2003-07-30 CN disclosed
CN-1197788-A Process for producing branched aldehydes KURARAY CO (JP) 1998-11-04 CN disclosed